4-[bis(6-hydroxy-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]benzonitrile
Chemical Structure Depiction of
4-[bis(6-hydroxy-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]benzonitrile
4-[bis(6-hydroxy-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | 4482-3561 |
| Compound Name: | 4-[bis(6-hydroxy-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]benzonitrile |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C16 H11 N5 O4 S2 |
| Smiles: | C(c1ccc(cc1)C(C1=C(NC(NC1=O)=S)O)C1=C(NC(NC1=O)=S)O)#N |
| Stereo: | ACHIRAL |
| logP: | 0.1382 |
| logD: | -3.2473 |
| logSw: | -2.0952 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 120.824 |
| InChI Key: | RCZBIKIIWBGHPB-UHFFFAOYSA-N |